Geometry & MOs

Info

ID:	296974
PubChem CID:	117603908
Reduced:	N3O4C6H13 (1)
Stoich.:	A3B4C6D13 (1)
Weight, g/mol:	474.173501
ΔH_f, kcal/mol:	-179.69
Dipole, Da:	2.43
IP(EA), eV:	-9.67(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-1-(1-pyrazin-2-ylpropan-2-yl)-2H-pyridin-6-amine

Drug info:

PubChemData

Smile

C(CNC(=O)C(CO)NC(=O)O)N

DOS

IR

Vibrations